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(4-{(1E)-2-cyano-3-[4-(ethoxycarbonyl)anilino]-3-oxo-1-propenyl}phenoxy)acetic acid
SpectraBase Compound ID 7pkMXqCHhy3
InChI InChI=1S/C21H18N2O6/c1-2-28-21(27)15-5-7-17(8-6-15)23-20(26)16(12-22)11-14-3-9-18(10-4-14)29-13-19(24)25/h3-11H,2,13H2,1H3,(H,23,26)(H,24,25)/b16-11+
InChIKey ZDPNQRXCLTWZJA-LFIBNONCSA-N
Mol Weight 394.38 g/mol
Molecular Formula C21H18N2O6
Exact Mass 394.116486 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9NPSKsHXI6z
Name (4-{(1E)-2-cyano-3-[4-(ethoxycarbonyl)anilino]-3-oxo-1-propenyl}phenoxy)acetic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H18N2O6/c1-2-28-21(27)15-5-7-17(8-6-15)23-20(26)16(12-22)11-14-3-9-18(10-4-14)29-13-19(24)25/h3-11H,2,13H2,1H3,(H,23,26)(H,24,25)/b16-11+
InChIKey ZDPNQRXCLTWZJA-LFIBNONCSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11105
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9560982; UBI_ID: UBI-011108
Synonyms (4-{2-cyano-3-[4-(ethoxycarbonyl)anilino]-3-oxo-1-propenyl}phenoxy)acetic acid
Temperature 308 °C